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From molecular dynamics to Brownian dynamics

Three coarse-grained molecular dynamics (MD) models are investigated with the aim of developing and analysing multi-scale methods which use MD simulations in parts of the computational domain and (less detailed) Brownian dynamics (BD) simulations in the remainder of the domain. The first MD model is...

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Detalles Bibliográficos
Autor principal: Erban, Radek
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society Publishing 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4032556/
https://www.ncbi.nlm.nih.gov/pubmed/25002825
http://dx.doi.org/10.1098/rspa.2014.0036